SCHEMBL20510986

O=C(CCCCCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 19)

	gene	UniProt	supporting neighbours	confidence
▸	SIRT2	Q8IXJ6	3/20	0.43

▸	SIRT1	Q96EB6	1/20	0.43

▸	FOLH1	Q04609	2/20	0.43

▸	MMP13	P45452	1/20	0.43

▸	FGF1	P05230	2/20	0.41

▸	FGF2	P09038	2/20	0.41

▸	VEGFA	P15692	2/20	0.41

▸	HPSE	Q9Y251	2/20	0.41

▸	CD209	Q9NNX6	1/20	0.41

▸	ITGB3	P05106	2/20	0.40

▸	ITGAV	P06756	2/20	0.40

▸	CAPN1	P07384	1/20	0.39

▸	CAPN2	P17655	1/20	0.39

▸	SLC6A2	P23975	1/20	0.39

▸	PRKCA	P17252	1/20	0.39

▸	BCHE	P06276	1/20	0.38

▸	ACHE	P22303	1/20	0.38

▸	LGALS8	O00214	1/20	0.38

▸	TPSAB1	Q15661	1/20	0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30891396	0.97	MMP13 (0.42)	SIRT2SIRT1FOLH1MMP13FGF1
SCHEMBL20511175	0.97	SIRT2 (0.45)	SIRT2SIRT1FOLH1MMP13FGF1
SCHEMBL30891317	0.97	SIRT2 (0.45)	SIRT2SIRT1FOLH1MMP13FGF1
SCHEMBL18132302	0.96	CD209 (0.43)	SIRT2SIRT1FOLH1FGF1FGF2
SCHEMBL16621007	0.96	CD209 (0.43)	SIRT2SIRT1FOLH1FGF1FGF2
SCHEMBL30891472	0.94	MMP13 (0.41)	SIRT2SIRT1FOLH1MMP13FGF1
SCHEMBL30392232	0.93	SIRT2 (0.44)	SIRT2SIRT1FOLH1MMP13FGF1
SCHEMBL30391943	0.92	SIRT2 (0.45)	SIRT2SIRT1MMP13FGF1FGF2
SCHEMBL30891312	0.92	MMP13 (0.46)	MMP13FGF1FGF2VEGFAHPSE
SCHEMBL29880337	0.92	MMP13 (0.46)	MMP13FGF1FGF2VEGFAHPSE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-3600381-A1	GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES	Merck Sharp & Dohme Corp. (US)	2020-02-05	—	—	EP	disclosed
WO-2018175272-A1	GLUCOSE RESPONSIVE INSULIN COMPRISING A TRI-VALENT SUGAR CLUSTER FOR TREATMENT OF DIABETES	MERCK SHARP & DOHME CORP. (US)	2018-09-27	—	—	WO	disclosed